tapsap.tapsolver package

Submodules

tapsap.tapsolver.Simulation module

class tapsap.tapsolver.Simulation.Simulation(experiment: Optional[Experiment] = None)

Bases: object

This class acts as a container for all of the simulation parameters.

Attributes:

reaction_matrix (dict): The reaction matrix based on stoichiometery.

elementary_steps (dict): The elementary steps.

zone_mesh_sizes (dict): The mesh size per zone.

advection_amount (float): The advection amount.

reference_diffusion (float): The reference diffusion in the simulation.

Citation:

Yonge et al, “TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments”

Implementor:

  1. Ross Kunz

Link:

https://doi.org/10.1016/j.cej.2021.129377

https://arxiv.org/abs/2008.13584

to_reactor() → Reactor

tapsap.tapsolver.read_tapsolver_input module

tapsap.tapsolver.read_tapsolver_input.read_tapsolver_input(input_path: str) → Simulation

Takes an input file path and reads the tapsolver input file.

Args:

input_path (str): The path or file name to read the input file.

Returns:

tapsolver_simualtion (Simulation): The tapsolver simulation object.

Citation:

Yonge et al, “TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments”

Implementor:

  1. Ross Kunz

Link:

https://doi.org/10.1016/j.cej.2021.129377

https://arxiv.org/abs/2008.13584

See also:

tapsap.tapsolver.Simulation

tapsap.tapsolver.read_tapsolver_output module

tapsap.tapsolver.read_tapsolver_output.read_tapsolver_output(simulation: Simulation) → list

Takes an input directory path and reads the tapsolver output file. This function then coverts the output to a list of transient objects.

Args:

input_path (str): The path or file name to read the input file.

Returns:

species_data (list): A list of transient objects.

Citation:

Yonge et al, “TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments”

Implementor:

  1. Ross Kunz

Link:

https://doi.org/10.1016/j.cej.2021.129377

https://arxiv.org/abs/2008.13584

See also:

tapsap.tapsolver.Simulation

tapsap.structures.Transient

tapsap.tapsolver.write_tapsolver_input module

tapsap.tapsolver.write_tapsolver_input.write_tapsolver_input(tapsolver_simualtion: Simulation, save_path: str = 'tapsolver_input.csv') → None

Takes a tapsolver simulation object and saves an input csv file.

Args:

tapsolver_simualtion (Simulation): The tapsolver simulation object.

save_path (str, optional): The path or file name to save the input file.

Returns:

None

Citation:

Yonge et al, “TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments”

Implementor:

  1. Ross Kunz

Link:

https://doi.org/10.1016/j.cej.2021.129377

https://arxiv.org/abs/2008.13584

See also:

tapsap.tapsolver.Simulation

Module contents